[1-[(6-methylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [1-[(6-methylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: [1-methyl-2-[(6-methyl-2-pyridyl)amino]-2-oxo-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [1-[(6-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(6-methylpyridin-2-yl)amino]-1-oxopropan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [2-keto-1-methyl-2-[(6-methyl-2-pyridyl)amino]ethyl] ester Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

InChI

InChI=1S/C20H21N5O3S/c1-12-6-5-7-17(21-12)22-18(26)13(2)28-19(27)15-8-10-16(11-9-15)25-14(3)23-24-20(25)29-4/h5-11,13H,1-4H3,(H,21,22,26)